3-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine

C13H18N2O2 — CID 650697

IUPAC3-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESc1ccc2c(c1)NC(CN1CCOCC1)CO2
InChIInChI=1S/C13H18N2O2/c1-2-4-13-12(3-1)14-11(10-17-13)9-15-5-7-16-8-6-15/h1-4,11,14H,5-10H2
InChIKeyPBDBHLSLPCKGRV-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.19
Rot. Bonds2

About 3-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine

3-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 650697) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name3-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID650697
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESc1ccc2c(c1)NC(CN1CCOCC1)CO2
InChIInChI=1S/C13H18N2O2/c1-2-4-13-12(3-1)14-11(10-17-13)9-15-5-7-16-8-6-15/h1-4,11,14H,5-10H2
InChIKeyPBDBHLSLPCKGRV-UHFFFAOYSA-N
XLogP1.19
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 3-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine (CID 650697) is 3-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 3-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 3-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine is c1ccc2c(c1)NC(CN1CCOCC1)CO2.
What is the InChIKey of 3-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is PBDBHLSLPCKGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-4-13-12(3-1)14-11(10-17-13)9-15-5-7-16-8-6-15/h1-4,11,14H,5-10H2.
What are the key properties of 3-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine?
3-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 234.30 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 650697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).